Geometry & MOs

Info

ID:

90608

PubChem CID:

49970713

Reduced:

F2O5N6C39H46 (1)

Stoich.:

A2B5C6D39E46 (1)

Weight, g/mol:

690.390497

ΔHf, kcal/mol:

-268.15

Dipole, Da:

4.67

IP(EA), eV:

 -9.02(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(cyclohexanecarbonylamino)-2-fluoroanilino]-2-oxoethyl]-1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)NC(=O)CC5=CC=C(C=C5)F)F

DOS

IR

Vibrations